4-[(E)-{4-Formyl-5-Hydroxy-6-Methyl-3-[(Phosphonooxy)Methyl]-2-Pyridinyl}Diazenyl]Benzoic Acid

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Properties Simple | Detailed

Formula C15H14N3O8P
IUPAC Name 4-[(e)-[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridyl]azo]benzoic acid
Molecular Mass 395.261 g·mol−1
Heat of Formation -1341.8 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 410.16 Å 3
Surface Area 353.21 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
InChIKey NPBWMMRUXMTIRC-ISLYRVAYSA-N
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